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NANOSIN-ZINC04254153

 MMsINC code: MMs02204364
Type: Neutral
Formula: C14H20N2O5
SMILES:   O1C(C)C(O)C(O)C(O)C1Nc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C14H20N2O5/c1-7-11(18)12(19)13(20)14(21-7)16-10-5-3-9(4-6-10)15-8(2)17/h3-7,11-14,16,18-20H,1-2H3,(H,15,17)/t7-,11+,12+,13+,14-/m1/s1

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Potential Energy
Epot(MMFF94)=113.526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.323 g/mol  logS: -1.28259  SlogP: -0.1156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635525  Sterimol/B1: 2.19532  Sterimol/B2: 2.48466  Sterimol/B3: 4.45934
  Sterimol/B4: 6.32254  Sterimol/L: 16.0139 
 
 Surface and Volume Properties
  Accessible surface: 531.565  Positive charged surface: 355.827  Negative charged surface: 175.739  Volume: 275
  Hydrophobic surface: 334.626  Hydrophilic surface: 196.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.